≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CN1C2=C3C(=C(C=C2)S(=O)(=O)NCC(=O)O)C=CC=C3C1=O |
|---|---|
| InChIKey | GTYJVHSLFRFPEL-UHFFFAOYSA-N |
| INCHI | 1S/C14H12N2O5S/c1-16-10-5-6-11(22(20,21)15-7-12(17)18)8-3-2-4-9(13(8)10)14(16)19/h2-6,15H,7H2,1H3,(H,17,18) |
| Isomeric SMILES | CN1C2=C3C(=C(C=C2)S(=O)(=O)NCC(=O)O)C=CC=C3C1=O |
| Molecular Weight | 320.3205 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Naphthalene sulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-naphthalene sulfonic acids and derivatives |
| Alternative Parents | 1-naphthalene sulfonamides Alpha amino acids and derivatives Isoindolones Indoles and derivatives Organosulfonamides Tertiary carboxylic acid amides Aminosulfonyl compounds Lactams Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-naphthalene sulfonamide - Naphthalene sulfonamide - 1-naphthalene sulfonic acid or derivatives - Alpha-amino acid or derivatives - Isoindolone - Indole or derivatives - Isoindole or derivatives - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-naphthalene sulfonic acids and derivatives. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group (or a derivative thereof) at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. |
| External Descriptors | Not available |
| Boil Point(°C) | 644.1±65.0°C(Predicted) |
|---|---|
| Molecular Weight | 320.320 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 320.047 Da |
| Monoisotopic Mass | 320.047 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 585.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-[(1-methyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]acetic acid - ≥97% CAS No(801224-73-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/S/7/S769533.jpg)